4-[3-(Bromomethyl)-5-[1-[(3,5-diethynylphenyl)methyl]triazol-4-yl]phenyl]-1-[(3,5-diethynylphenyl)methyl]triazole | 1239921-69-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[3-(Bromomethyl)-5-[1-[(3,5-diethynylphenyl)methyl]triazol-4-yl]phenyl]-1-[(3,5-diethynylphenyl)methyl]triazole
• 英文别名: 4-[3-(bromomethyl)-5-[1-[(3,5-diethynylphenyl)methyl]triazol-4-yl]phenyl]-1-[(3,5-diethynylphenyl)methyl]triazole
• CAS: 1239921-69-7
• 化学式: C₃₃H₂₁BrN₆
• 分子量: 581.474
• InChiKey: PPJMOPGDSMRELG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  40
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  61.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-[3-[[4-[3-[1-[[3,5-Bis[2-tri(propan-2-yl)silylethynyl]phenyl]methyl]triazol-4-yl]-5-(bromomethyl)phenyl]triazol-1-yl]methyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 以72.1%的产率得到4-[3-(Bromomethyl)-5-[1-[(3,5-diethynylphenyl)methyl]triazol-4-yl]phenyl]-1-[(3,5-diethynylphenyl)methyl]triazole
  参考文献：
  名称：

  Designing dendritic frameworks using versatile building blocks suitable for CuI-catalyzed alkyne azide ‘click’ chemistry

  摘要：

  Synthesis of molecular building blocks that incorporate azide and alkyne-terminated functionalities suitable for Cu-I-catalyzed cycloaddition between alkynes and azides is reported. Their utility in constructing dendritic frameworks with 4, 6, or 12 peripheral acetylene groups using either the convergent or divergent methodology, and their functionalization with desirable end groups are demonstrated. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.05.061